N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

C16H14ClN3S — CID 25011967

IUPACN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C16H14ClN3S/c1-10-7-14(12-5-3-4-6-13(12)17)19-15(8-10)20-16-18-9-11(2)21-16/h3-9H,1-2H3,(H,18,19,20)
InChIKeySRNGJZONGVJTQN-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.22
Rot. Bonds3

About N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 25011967) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID25011967
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C16H14ClN3S/c1-10-7-14(12-5-3-4-6-13(12)17)19-15(8-10)20-16-18-9-11(2)21-16/h3-9H,1-2H3,(H,18,19,20)
InChIKeySRNGJZONGVJTQN-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (CID 25011967) is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc(-c2ccccc2Cl)c1.
What is the InChIKey of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is SRNGJZONGVJTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-10-7-14(12-5-3-4-6-13(12)17)19-15(8-10)20-16-18-9-11(2)21-16/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 315.83 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 25011967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).